2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid

C12H12BrFO2 — CID 81358599

IUPAC2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)C1CCc2cc(Br)ccc2C1
InChIInChI=1S/C12H12BrFO2/c13-10-4-3-7-5-9(11(14)12(15)16)2-1-8(7)6-10/h3-4,6,9,11H,1-2,5H2,(H,15,16)
InChIKeyYEQBFKGARGGXQD-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.98
Rot. Bonds2

About 2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid

2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid (PubChem CID 81358599) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid
PubChem CID81358599
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)C1CCc2cc(Br)ccc2C1
InChIInChI=1S/C12H12BrFO2/c13-10-4-3-7-5-9(11(14)12(15)16)2-1-8(7)6-10/h3-4,6,9,11H,1-2,5H2,(H,15,16)
InChIKeyYEQBFKGARGGXQD-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid (CID 81358599) is 2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid is O=C(O)C(F)C1CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid?
The InChIKey is YEQBFKGARGGXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c13-10-4-3-7-5-9(11(14)12(15)16)2-1-8(7)6-10/h3-4,6,9,11H,1-2,5H2,(H,15,16).
What are the key properties of 2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid?
2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid has a molecular weight of 287.13 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81358599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).